Information card for entry 4121511

Structure parameters

• Formula: C32 H29.5 F12 N12.5 O12.5 Pb2 S4
• Calculated formula: C32 H29.5 F12 N12.5 O12.5 Pb2 S4
• SMILES: c1cccc2C=[N]3N(C)c4cc5[n](c[n]4[Pb]3([n]12)(OS(=O)(C(F)(F)F)=O)(OS(=O)(=O)C(F)(F)F)OS(=O)(C(F)(F)F)=O)[Pb]123([N](=Cc4cccc(C=[N]2N(C)c2cccc[n]32)[n]14)N5C)OS(=O)(=O)C(F)(F)F.C(#N)C.C(#N)C.O
• Title of publication: Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.
• Authors of publication: Stadler, Adrian-Mihail; Lehn, Jean-Marie P
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 9
• Pages of publication: 3400 - 3409
• a: 13.7212 ± 0.0001 Å
• b: 16.5853 ± 0.0002 Å
• c: 21.4884 ± 0.0002 Å
• α: 97.914 ± 0.001°
• β: 99.687 ± 0.001°
• γ: 91.271 ± 0.001°
• Cell volume: 4769.33 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No